methyl 4-[4-(4-oxidanylidenechromen-3-yl)piperazin-1-yl]sulfonylthiophene-3-carboxylate

Systemtic Name: methyl 4-[4-(4-oxidanylidenechromen-3-yl)piperazin-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 4-[4-(4-oxochromen-3-yl)piperazin-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 4-[[4-(4-oxo-1-benzopyran-3-yl)-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(4-oxochromen-3-yl)piperazin-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 4-[4-(4-ketochromen-3-yl)piperazino]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C19H18N2O6S2 MolecularWeight: 434.48602

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CSC=C1S(=O)(=O)N2CCN(CC2)C3=COC4=CC=CC=C4C3=O

Isomeric SMILES

COC(=O)C1=CSC=C1S(=O)(=O)N2CCN(CC2)C3=COC4=CC=CC=C4C3=O

InChI

InChI=1S/C19H18N2O6S2/c1-26-19(23)14-11-28-12-17(14)29(24,25)21-8-6-20(7-9-21)15-10-27-16-5-3-2-4-13(16)18(15)22/h2-5,10-12H,6-9H2,1H3